Piir, G.; Sild, S.; Roncaglioni, A.; Benfenati, E.; Maran, U. QSAR model for the prediction of bio-concentration factor using aqueous solubility and descriptors considering various electronic effects. SAR QSAR Environ. Res. 2010, 21, 7-8, 711-729.
Compound
| ID: | e637 | |
|---|---|---|
| Name: | tebufenpyrad | |
| Description: | ||
| Labels: | Validation, 2 | |
| CAS: | 119168-77-3 | |
| InChi Code: | InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23) |
Properties
LogBCF: Fish bioconcentration factor as logBCF
| Value | Source or prediction |
|---|---|
| 1.13 |
experimental value |
| 1.6532 |
Tab2: Multilinear model for diverse chemicals (External validation set 2) |
| 1.6532 |
Tab3: Multilinear model for diverse chemicals (Tab3*, statistical outliers (Tab4) removed) (External validation set 2) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0034223 | US EPA CompTox Dashboard |